2-[(2,3-dimethylphenyl)carbamoylamino]benzamide

C16H17N3O2 — CID 127573496

IUPAC2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1cccc(NC(=O)Nc2ccccc2C(N)=O)c1C
InChIInChI=1S/C16H17N3O2/c1-10-6-5-9-13(11(10)2)18-16(21)19-14-8-4-3-7-12(14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyDZRIFBDWRFETOM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.05
Rot. Bonds3

About 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide

2-[(2,3-dimethylphenyl)carbamoylamino]benzamide (PubChem CID 127573496) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
PubChem CID127573496
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1cccc(NC(=O)Nc2ccccc2C(N)=O)c1C
InChIInChI=1S/C16H17N3O2/c1-10-6-5-9-13(11(10)2)18-16(21)19-14-8-4-3-7-12(14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyDZRIFBDWRFETOM-UHFFFAOYSA-N
XLogP3.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2,3-dimethylbenzamide;ethane
CID 143389789
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-(2-bromopropanoylamino)benzamide
CID 14588064

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide (CID 127573496) is 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide is Cc1cccc(NC(=O)Nc2ccccc2C(N)=O)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide?
The InChIKey is DZRIFBDWRFETOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-6-5-9-13(11(10)2)18-16(21)19-14-8-4-3-7-12(14)15(17)20/h3-9H,1-2H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide?
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 127573496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).